2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

C11H24N4O3 — CID 111037014

IUPAC2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCOCCCN/C(N)=N/CC(=O)NCCOC
InChIInChI=1S/C11H24N4O3/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyDXOGRIZYOFKEKA-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.92
Rot. Bonds10

About 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111037014) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111037014
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCOCCCN/C(N)=N/CC(=O)NCCOC
InChIInChI=1S/C11H24N4O3/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyDXOGRIZYOFKEKA-UHFFFAOYSA-N
XLogP-0.92
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 75532521
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
2-[[amino(diethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037001
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111037014) is 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is CCOCCCN/C(N)=N/CC(=O)NCCOC.
What is the InChIKey of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is DXOGRIZYOFKEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15).
What are the key properties of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of -0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111037014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).